Summary
SMILES: C/C=C(/C(=O)O[C@H]1CCN2[C@@H](C1)[C@@H]1C[C@@H](C2)[C@@H]2N(C1)C(=O)CCC2)CInChI: InChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3/b13-3+/t14-,15+,16-,17+,18-/m0/s1InChIKey: UPVPJQNTGLTBPC-ILQGDWHLSA-N
DeepSMILES: C/C=C/C=O)O[C@H]CCN[C@@H]C6)[C@@H]C[C@@H]C6)[C@@H]NC6)C=O)CCC6))))))))))))))))C
Scaffold Graph/Node/Bond level: O=C1CCCC2C3CC(CN12)C1CCCCN1C3
Scaffold Graph/Node level: OC1CCCC2C3CC(CN12)C1CCCCN1C3
Scaffold Graph level: CC1CCCC2C3CC4CCCCC4C(C3)CC12
Functional groups: C/C=C(C)C(=O)OC; CC(=O)N(C)C; CN(C)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Lupin alkaloids
ClassyFire Subclass: Sparteine, lupanine, and related alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids
NP Classifier Class: Quinolizidine alkaloids
Synonymous chemical names:(+)-13alpha-tigloyloxylupanine, (+)-13α-tigloyloxylupanine
External chemical identifiers:CID:5280655; ZINC:ZINC000100202259
Chemical structure download